Products 868249-02-9

CAS 868249-02-9 is the registry number for Histidyl-Glycyl-Glutamyl-Glycyl-Threonyl-Phenylalanyl-Threonyl-Seryl-Aspartyl-Leucyl-Seryl-Lysine xTFA Salt. Offered by: TRC. Available pack sizes: 100mg, 25mg, 5mg.

Histidyl-Glycyl-Glutamyl-Glycyl-Threonyl-Phenylalanyl-Threonyl-Seryl-Aspartyl-Leucyl-Seryl-Lysine xTFA Salt
TRC
  • size: 100mg, 25mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

[(1S,2R,3R,4R,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12-trihydroxy-15-[(2S,3S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 868249-02-9) is a chemical compound with the molecular formula C43H53NO15 and a molecular weight of 823.9 g/mol. IUPAC name: [(1S,2R,3R,4R,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12-trihydroxy-15-[(2S,3S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: HABZZLXXUPZIJD-AXVNSEDSSA-N.

Identity
Molecular formulaC43H53NO15
Molecular weight823.9 g/mol
IUPAC name[(1S,2R,3R,4R,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12-trihydroxy-15-[(2S,3S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyHABZZLXXUPZIJD-AXVNSEDSSA-N
SMILESCC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@@]([C@H]3[C@H]([C@@](C2(C)C)(C[C@H]1OC(=O)[C@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)CO)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

Computed by PubChem (NCBI)

Related forms of this compound
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C43H53NO15